18355-51-6
7,7'-(4,4'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-ETHYLQUINOLINIUM) DI-P-TOLUENESULFONATE
Name7,7'-(4,4'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-ETHYLQUINOLINIUM) DI-P-TOLUENESULFONATE
FormulaC36 H32 N4 O2 . 2 C7 H7 O3 S
1Identification
【Name】
7,7'-(4,4'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-ETHYLQUINOLINIUM) DI-P-TOLUENESULFONATE
【CAS】
【MDL】
MFCD01685306
【English Synonyms】
【Formula】
C36 H32 N4 O2 . 2 C7 H7 O3 S
【MolWeight】
895.065
【Inchi】
InChI=1S/C36H30N4O2.2C7H8O3S/c1-3-39-21-5-7-27-17-19-31(23-33(27)39)37-35(41)29-13-9-25(10-14-29)26-11-15-30(16-12-26)36(42)38-32-20-18-28-8-6-22-40(4-2)34(28)24-32;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)
【InChIKey】
InChIKey=FMFMFXBMGQXJOX-UHFFFAOYSA-N
【SMILES】
CC[n+]1cccc2c1cc(cc2)NC(=O)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5ccc6ccc[n+](c6c5)CC.Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-]
【MOL File】
7,7'-(4,4'-BIPHENYLY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7,7'-(4,4'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-ETHYLQUINOLINIUM) DI-P-TOLUENESULFONATE.cml